| CAS Number | 868277-51-4 |
| Catalog Number | AG01AFLZ(AGN-PC-04QZ7K) |
| Chemical Name | 2-[(3-Chlorophenyl)methoxy]acetic acid |
| IUPAC Name | 2-[(3-chlorophenyl)methoxy]acetic acid |
| InChI | InChI=1S/C9H9ClO3/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChI Key | ZIFWYRKGNWMAIA-UHFFFAOYSA-N |
| MDL Number | MFCD19370128 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.619 |
| SMILES | OC(COCC1=CC(Cl)=CC=C1)=O |
| Synonyms | 2-[(3-chlorophenyl)methoxy]acetic acid,
868277-51-4,
2-((3-chlorobenzyl)oxy)acetic acid,
SCHEMBL2284663,
ZIFWYRKGNWMAIA-UHFFFAOYSA-N,
ZINC57937786,
AKOS014460322,
A1-07946,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number